1-(fluoromethyl)-4-methylcyclohexane

C8H15F — CID 20579841

IUPAC1-(fluoromethyl)-4-methylcyclohexane
SMILESCC1CCC(CF)CC1
InChIInChI=1S/C8H15F/c1-7-2-4-8(6-9)5-3-7/h7-8H,2-6H2,1H3
InChIKeySBTVLQUDDGIMBD-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.78
Rot. Bonds1

About 1-(fluoromethyl)-4-methylcyclohexane

1-(fluoromethyl)-4-methylcyclohexane (PubChem CID 20579841) has the molecular formula C8H15F and a molecular weight of 130.21 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-methylcyclohexane.

Molecular Properties

Compound Name1-(fluoromethyl)-4-methylcyclohexane
PubChem CID20579841
Molecular FormulaC8H15F
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name1-(fluoromethyl)-4-methylcyclohexane
SMILESCC1CCC(CF)CC1
InChIInChI=1S/C8H15F/c1-7-2-4-8(6-9)5-3-7/h7-8H,2-6H2,1H3
InChIKeySBTVLQUDDGIMBD-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-methylcyclohexane?
The IUPAC name of 1-(fluoromethyl)-4-methylcyclohexane (CID 20579841) is 1-(fluoromethyl)-4-methylcyclohexane.
What is the SMILES notation for 1-(fluoromethyl)-4-methylcyclohexane?
The canonical SMILES for 1-(fluoromethyl)-4-methylcyclohexane is CC1CCC(CF)CC1.
What is the InChIKey of 1-(fluoromethyl)-4-methylcyclohexane?
The InChIKey is SBTVLQUDDGIMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F/c1-7-2-4-8(6-9)5-3-7/h7-8H,2-6H2,1H3.
What are the key properties of 1-(fluoromethyl)-4-methylcyclohexane?
1-(fluoromethyl)-4-methylcyclohexane has a molecular weight of 130.21 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-methylcyclohexane is sourced from PubChem (CID 20579841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).